8-((3R)-3-AMINO-1-PIPERIDINYL)-3,7-DIHYDRO-7-(4-HYDROXY-2-BUTYN-1-YL)-3-METHYL-1-((4-METHYL-2-QUINAZOLINYL)METHYL)-1H-PURINE-2,6-DIONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H28N8O3
Molecular Weight	488.5416
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 8-((3R)-3-AMINO-1-PIPERIDINYL)-3,7-DIHYDRO-7-(4-HYDROXY-2-BUTYN-1-YL)-3-METHYL-1-((4-METHYL-2-QUINAZOLINYL)METHYL)-1H-PURINE-2,6-DIONE

Structure Search

SMILES

CN1C2=C(N(CC#CCO)C(=N2)N3CCC[C@@H](N)C3)C(=O)N(CC4=NC5=CC=CC=C5C(C)=N4)C1=O

InChI

InChIKey=MREQTPLJIIFUIK-QGZVFWFLSA-N

InChI=1S/C25H28N8O3/c1-16-18-9-3-4-10-19(18)28-20(27-16)15-33-23(35)21-22(30(2)25(33)36)29-24(32(21)12-5-6-13-34)31-11-7-8-17(26)14-31/h3-4,9-10,17,34H,7-8,11-15,26H2,1-2H3/t17-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

8-((3R)-3-AMINO-1-PIPERIDINYL)-3,7-DIHYDRO-7-(4-HYDROXY-2-BUTYN-1-YL)-3-METHYL-1-((4-METHYL-2-QUINAZOLINYL)METHYL)-1H-PURINE-2,6-DIONE

Systematic Name

English

LINAGLIPTIN METABOLITE M489(1)

Common Name

English

1H-PURINE-2,6-DIONE, 8-((3R)-3-AMINO-1-PIPERIDINYL)-3,7-DIHYDRO-7-(4-HYDROXY-2-BUTYN-1-YL)-3-METHYL-1-((4-METHYL-2-QUINAZOLINYL)METHYL)-

Systematic Name

English

Code System Code Type Description

FDA UNII

K7LRO6HCA0

Created by admin on Sat Dec 16 14:31:04 GMT 2023 , Edited by admin on Sat Dec 16 14:31:04 GMT 2023

PRIMARY

CAS

1807608-59-8

Created by admin on Sat Dec 16 14:31:04 GMT 2023 , Edited by admin on Sat Dec 16 14:31:04 GMT 2023

PRIMARY

PUBCHEM

146014909

Created by admin on Sat Dec 16 14:31:04 GMT 2023 , Edited by admin on Sat Dec 16 14:31:04 GMT 2023

PRIMARY

PARENT (METABOLITE)


					3X29ZEJ4R2

LINAGLIPTIN

SUBSTANCE RECORD


					K7LRO6HCA0

8-((3R)-3-AMINO-1-PIPERIDINYL)-3,7-DIHYDRO-7-(4-HYDROXY-2-BUTYN-1-YL)-3-METHYL-1-((4-METHYL-2-QUINAZOLINYL)METHYL)-1H-PURINE-2,6-DIONE